- InChI
- InChI=1S/C15H32O6Si3/c1-22(2,3)19-12-10-11(17-14(12)16)13(20-23(4,5)6)15(18-10)21-24(7,8)9/h10-13,15H,1-9H3
- InChI Key
- XYVSGYLYEFHXSB-UHFFFAOYSA-N
- Formula
- C15H32O6Si3
- SMILES
-
C[Si](C)(C)OC1OC2C(O[Si](C)(C)
C)C(=O)OC2C1O[Si](C)(C)C - Molecular Weight1
- 392.67
- CAS
- 52842-26-9
- Other Names
-
- Glucurono-6,3-lactone, TMS
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6113 | Relay (1.0) Calculated Property | |
| ΔfG° | -588.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1390.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 81.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.928 | Crippen Calculated Property | |
| Pc | 735.88 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1859.00 | NIST | |
| Tboil | 587.07 | K | Relay (1.0) Calculated Property |
| Tc | 789.70 | K | Relay (1.0) Calculated Property |
| Tfus | 374.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.230 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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